Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.35 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.35 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9303543 | 0.93 | TEAD2 (0.39) | HRH1CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9304621 | 0.92 | TEAD2 (0.43) | HRH1CYP3A4KDM4EALDH1A1HPGD | |
| Maleic Acid SCHEMBL8135697 | 0.90 | TEAD2 (0.37) | KDM4EHSD17B10TEAD2NAMPTRORC | |
| Fumaric Acid SCHEMBL8135703 | 0.90 | TEAD2 (0.37) | KDM4EHSD17B10TEAD2NAMPTRORC | |
| SCHEMBL9302703 | 0.87 | CSNK2A2 (0.39) | CYP3A4ALDH1A1CYP2D6NAMPTKCNH2 | |
| Maleic Acid SCHEMBL8138730 | 0.84 | TEAD2 (0.40) | KDM4EHSD17B10TEAD2NAMPTESR1 | |
| Fumaric Acid SCHEMBL8138733 | 0.84 | TEAD2 (0.40) | KDM4EHSD17B10TEAD2NAMPTESR1 | |
| SCHEMBL9258008 | 0.84 | NAMPT (0.39) | KDM4EHSD17B10NAMPTMAPK13MAPK12 | |
| SCHEMBL9255098 | 0.82 | MAPK1 (0.41) | KDM4EALDH1A1ALOX15HSD17B10 | |
| SCHEMBL8137072 | 0.82 | ALDH1A1 (0.39) | CYP3A4KDM4EALDH1A1HSD17B10NAMPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5296491-A | Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-22 | — | — | US | claimed |